ChemSpider 2D Image | 4-(Methylsulfanyl)-2-hexanol | C7H16OS

4-(Methylsulfanyl)-2-hexanol

  • Molecular FormulaC7H16OS
  • Average mass148.266 Da
  • Monoisotopic mass148.092178 Da
  • ChemSpider ID28586920

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Hexanol, 4-(methylthio)- [ACD/Index Name]
4-(Methylsulfanyl)-2-hexanol [German] [ACD/IUPAC Name]
4-(Methylsulfanyl)-2-hexanol [ACD/IUPAC Name]
4-(Méthylsulfanyl)-2-hexanol [French] [ACD/IUPAC Name]
4-(Methylsulfanyl)hexan-2-ol
827024-51-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 202.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.0±6.0 kJ/mol
Flash Point: 99.1±18.5 °C
Index of Refraction: 1.474
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.37
ACD/KOC (pH 5.5): 279.51
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.37
ACD/KOC (pH 7.4): 279.51
Polar Surface Area: 46 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 156.3±3.0 cm3

Click to predict properties on the Chemicalize site


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